SCHEMBL2056674

SCHEMBL2056674

NC(=O)C1SCCN1C(=O)c1ncsc1-c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
THPO P40225 1/20 0.49
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48
HCRTR1 O43613 14/20 0.40
HCRTR2 O43614 14/20 0.40
KDM4E B2RXH2 1/20 0.36
GRM5 P41594 1/20 0.36
FPR2 P25090 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2636052 0.88 HCRTR1 (0.51) HCRTR1HCRTR2GRM5
SCHEMBL2635330 0.88 HCRTR2 (0.51) HCRTR1HCRTR2KDM4E
SCHEMBL2057132 0.87 HCRTR1 (0.38) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2056677 0.86 CYP1A2 (0.54) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL2635815 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2636405 0.82 HCRTR2 (0.39) HCRTR1HCRTR2
SCHEMBL2056858 0.81 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2635417 0.80 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2056738 0.77 HCRTR1 (0.43) HCRTR1HCRTR2GRM5FPR2TRPM8
SCHEMBL2636054 0.73 HCRTR1 (0.49) CYP1A2CYP3A4THPOLMNAPMP22

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CYP1A2 1036/4885CYP3A4 976/4885THPO 486/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.